==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-DEC-09 3L38 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.OLLAND,R.CHOPRA . 364 5 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 30.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 47 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 6 2 2 2 6 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 60 A S > 0 0 94 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 105.8 14.4 -5.9 -13.6 2 61 A F G >> + 0 0 71 1,-0.3 3,-2.0 2,-0.2 4,-0.9 0.693 360.0 82.5 -63.7 -18.7 14.3 -3.9 -10.4 3 62 A V G >4 S+ 0 0 107 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.852 86.8 56.3 -52.7 -34.2 11.0 -2.4 -11.6 4 63 A E G <4 S+ 0 0 139 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.589 103.4 53.2 -79.2 -10.1 9.4 -5.6 -10.2 5 64 A M G X4 S+ 0 0 10 -3,-2.0 3,-1.7 -4,-0.2 165,-0.6 0.544 80.5 114.8 -99.3 -10.7 10.8 -5.0 -6.7 6 65 A V T << S+ 0 0 62 -4,-0.9 163,-0.1 -3,-0.7 -3,-0.0 -0.371 88.9 5.2 -58.3 134.5 9.5 -1.5 -6.4 7 66 A D T 3 S+ 0 0 77 1,-0.1 -1,-0.3 147,-0.1 162,-0.2 0.743 83.8 138.6 63.3 24.7 6.9 -1.2 -3.7 8 67 A N < + 0 0 15 -3,-1.7 12,-0.6 82,-0.1 2,-0.4 0.330 53.3 83.0 -80.7 9.4 7.5 -4.8 -2.6 9 68 A L E +AB 19 168A 0 159,-2.2 159,-1.3 10,-0.2 2,-0.3 -0.930 51.2 164.9-118.7 138.7 7.3 -3.6 1.0 10 69 A R E +AB 18 167A 99 8,-2.3 8,-3.8 -2,-0.4 2,-0.3 -0.924 7.6 140.6-139.1 166.5 4.3 -3.0 3.2 11 70 A G E -AB 17 166A 2 155,-1.1 155,-2.8 -2,-0.3 2,-0.4 -0.963 46.1 -92.3 176.3 174.5 3.6 -2.5 6.9 12 71 A K E > - B 0 165A 50 4,-0.6 3,-2.9 -2,-0.3 4,-0.4 -0.904 58.1 -88.6-105.5 140.3 1.7 -0.6 9.6 13 72 A S T 3 S+ 0 0 11 151,-3.2 215,-0.0 -2,-0.4 -1,-0.0 -0.208 114.0 7.8 -49.6 124.6 3.3 2.5 11.1 14 73 A G T 3 S+ 0 0 28 214,-0.1 -1,-0.3 213,-0.1 214,-0.2 0.340 114.2 83.6 85.7 -6.3 5.5 1.5 14.0 15 74 A Q S < S- 0 0 31 -3,-2.9 -2,-0.2 1,-0.2 96,-0.1 0.310 95.5-113.2-113.2 6.5 5.1 -2.2 13.3 16 75 A G - 0 0 14 -4,-0.4 -4,-0.6 -5,-0.1 2,-0.4 0.047 28.9 -71.7 90.7 166.2 7.8 -2.5 10.7 17 76 A Y E -A 11 0A 5 17,-0.4 17,-3.4 208,-0.4 2,-0.4 -0.851 43.9-168.2-102.0 133.1 8.1 -3.2 7.0 18 77 A Y E -AC 10 33A 28 -8,-3.8 -8,-2.3 -2,-0.4 2,-0.3 -0.906 10.3-153.7-121.0 148.3 7.5 -6.7 5.5 19 78 A V E -AC 9 32A 0 13,-2.5 13,-3.1 -2,-0.4 2,-0.3 -0.868 30.9-108.4-109.3 150.4 8.1 -8.3 2.2 20 79 A E E + C 0 31A 68 -12,-0.6 70,-0.4 -2,-0.3 2,-0.3 -0.639 45.6 171.8 -76.1 134.3 6.1 -11.2 0.8 21 80 A M E - C 0 30A 0 9,-3.2 9,-2.9 -2,-0.3 2,-0.4 -0.932 23.9-141.0-134.4 161.2 8.1 -14.4 0.8 22 81 A T E -DC 87 29A 17 65,-2.3 65,-2.2 -2,-0.3 2,-0.4 -0.978 15.2-168.5-122.7 145.1 7.3 -18.0 0.1 23 82 A V E > -DC 86 28A 1 5,-1.9 5,-2.1 -2,-0.4 63,-0.2 -0.995 46.2 -2.5-133.0 134.3 8.8 -21.0 2.0 24 83 A G T 5S- 0 0 6 61,-2.6 36,-0.1 -2,-0.4 60,-0.1 -0.270 91.3 -38.8 88.9-171.7 8.7 -24.7 1.2 25 84 A S T 5S+ 0 0 29 2,-0.2 36,-2.4 1,-0.1 37,-0.3 -0.949 129.3 32.5-145.3 116.5 7.0 -26.7 -1.5 26 85 A P T 5S- 0 0 98 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.584 120.4 -99.1 -61.3 162.3 4.3 -26.0 -2.5 27 86 A P T 5 - 0 0 88 0, 0.0 2,-0.7 0, 0.0 -3,-0.2 -0.389 33.9-152.7 -62.4 117.3 5.2 -22.3 -1.8 28 87 A Q E < -C 23 0A 28 -5,-2.1 -5,-1.9 -2,-0.3 2,-0.2 -0.848 17.2-136.3 -91.7 114.9 3.7 -21.2 1.5 29 88 A T E +C 22 0A 55 -2,-0.7 2,-0.3 -7,-0.2 -7,-0.2 -0.499 33.3 163.0 -74.8 134.8 3.1 -17.5 1.3 30 89 A L E -C 21 0A 2 -9,-2.9 -9,-3.2 -2,-0.2 2,-0.5 -0.995 38.4-123.5-148.5 149.2 4.1 -15.3 4.3 31 90 A N E -C 20 0A 16 -2,-0.3 86,-3.5 -11,-0.2 87,-0.8 -0.848 33.3-163.7 -91.7 127.5 4.8 -11.7 5.1 32 91 A I E -Ce 19 118A 0 -13,-3.1 -13,-2.5 -2,-0.5 87,-0.2 -0.948 19.5-121.4-124.7 121.0 8.3 -11.3 6.6 33 92 A L E -Ce 18 119A 12 85,-2.7 87,-3.7 -2,-0.5 2,-0.8 -0.327 23.5-132.9 -55.7 126.8 9.6 -8.3 8.5 34 93 A V E + e 0 120A 1 -17,-3.4 2,-0.5 85,-0.2 -17,-0.4 -0.782 34.4 177.2 -83.5 111.4 12.7 -6.9 6.8 35 94 A D E > + e 0 121A 17 85,-2.4 87,-2.9 -2,-0.8 3,-1.0 -0.894 26.7 176.2-129.0 102.0 15.1 -6.5 9.7 36 95 A T T 3 S+ 0 0 0 -2,-0.5 159,-0.5 1,-0.2 187,-0.2 0.465 80.8 71.0 -78.8 0.1 18.7 -5.2 9.1 37 96 A G T 3 S+ 0 0 12 157,-0.1 2,-0.3 86,-0.1 -1,-0.2 0.288 101.4 37.1-101.5 8.2 19.1 -5.3 12.9 38 97 A S < - 0 0 34 -3,-1.0 85,-3.1 82,-0.2 90,-0.1 -0.936 63.3-142.6-151.8 174.5 19.2 -9.1 13.2 39 98 A S + 0 0 2 88,-0.4 2,-0.4 -2,-0.3 98,-0.2 0.282 62.1 97.8-131.5 8.4 20.5 -12.1 11.3 40 99 A N - 0 0 13 96,-0.1 81,-1.9 87,-0.1 2,-1.1 -0.841 60.9-141.8-103.3 137.3 18.0 -15.0 11.6 41 100 A F E +F 120 0A 6 -2,-0.4 60,-3.0 79,-0.2 2,-0.5 -0.864 41.4 172.4 -85.9 100.6 15.3 -16.0 9.1 42 101 A A E -Fg 119 101A 2 77,-2.3 77,-3.7 -2,-1.1 2,-0.4 -0.966 8.8-178.8-123.7 123.3 12.8 -16.8 11.8 43 102 A V E -Fg 118 102A 0 58,-2.2 60,-3.0 -2,-0.5 75,-0.3 -0.954 35.8-105.1-130.3 135.3 9.2 -17.6 11.0 44 103 A G E + g 0 103A 0 73,-3.4 11,-3.4 -2,-0.4 60,-0.1 -0.351 40.7 168.5 -50.6 128.3 6.1 -18.5 13.0 45 104 A A + 0 0 8 58,-2.5 12,-0.2 9,-0.3 -1,-0.2 0.092 58.1 50.4-134.7 18.9 5.7 -22.2 12.5 46 105 A A S S- 0 0 23 57,-0.3 -1,-0.1 7,-0.1 9,-0.1 -0.979 97.4 -79.3-153.5 151.9 3.0 -22.8 15.2 47 106 A P + 0 0 97 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.168 49.2 171.2 -53.5 145.1 -0.3 -21.3 16.1 48 107 A H > - 0 0 37 3,-0.4 3,-2.3 57,-0.1 5,-0.0 -0.956 44.7-115.1-154.3 142.1 -0.2 -18.0 18.0 49 108 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.792 118.2 46.9 -48.7 -33.1 -3.1 -15.6 18.9 50 109 A F T 3 S+ 0 0 81 62,-0.1 2,-0.5 -3,-0.0 63,-0.4 0.445 97.5 87.7 -92.1 -1.6 -1.4 -12.9 16.7 51 110 A L < + 0 0 17 -3,-2.3 -3,-0.4 1,-0.1 3,-0.1 -0.865 40.8 174.8-104.0 127.5 -0.8 -15.2 13.7 52 111 A H S S+ 0 0 165 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.571 81.7 23.8-100.7 -14.8 -3.3 -15.7 11.0 53 112 A R - 0 0 85 -7,-0.1 2,-0.3 63,-0.1 -1,-0.2 -0.975 68.3-179.6-137.4 158.2 -0.8 -17.8 9.0 54 113 A Y - 0 0 71 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.3 -0.989 38.1 -91.1-152.0 158.8 2.3 -19.8 9.9 55 114 A Y - 0 0 0 -11,-3.4 2,-0.7 -2,-0.3 -31,-0.1 -0.512 35.5-158.8 -66.7 126.0 5.0 -21.9 8.3 56 115 A Q > - 0 0 56 -2,-0.3 3,-1.6 1,-0.2 4,-0.4 -0.853 8.8-172.9-113.4 97.0 3.9 -25.6 8.3 57 116 A R G > S+ 0 0 41 -2,-0.7 3,-2.0 1,-0.3 6,-0.3 0.861 83.5 59.5 -55.4 -41.4 7.0 -27.8 7.9 58 117 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.717 101.3 56.8 -64.8 -19.4 5.0 -31.0 7.5 59 118 A L G < S+ 0 0 84 -3,-1.6 2,-0.6 1,-0.0 -1,-0.3 0.552 92.8 85.6 -84.7 -9.9 3.3 -29.4 4.4 60 119 A S X - 0 0 10 -3,-2.0 3,-0.8 -4,-0.4 -36,-0.1 -0.848 54.8-170.3-103.3 119.1 6.7 -28.8 2.8 61 120 A S T 3 S+ 0 0 102 -36,-2.4 -1,-0.1 -2,-0.6 -4,-0.0 0.709 91.0 52.4 -73.7 -22.2 8.2 -31.7 0.8 62 121 A T T 3 S+ 0 0 33 -37,-0.3 -1,-0.2 -36,-0.1 2,-0.2 0.284 82.4 120.8-100.9 9.3 11.5 -29.8 0.5 63 122 A Y < - 0 0 49 -3,-0.8 2,-0.4 -6,-0.3 21,-0.2 -0.513 42.6-167.3 -71.8 138.8 11.8 -29.2 4.2 64 123 A R E -H 83 0A 147 19,-2.5 19,-2.6 -2,-0.2 2,-0.3 -0.994 15.3-135.4-130.5 127.2 14.9 -30.6 6.0 65 124 A D E -H 82 0A 78 -2,-0.4 17,-0.3 17,-0.2 16,-0.0 -0.582 8.1-163.7 -77.6 136.1 15.2 -30.8 9.7 66 125 A L E - 0 0 62 15,-2.5 16,-0.2 -2,-0.3 -1,-0.1 0.364 32.5-133.8 -96.3 3.6 18.6 -29.7 11.2 67 126 A R E + 0 0 213 14,-0.4 2,-0.3 1,-0.2 15,-0.1 0.922 67.6 116.2 40.9 57.4 17.7 -31.5 14.5 68 127 A K E - 0 0 103 13,-0.5 13,-3.5 2,-0.0 -2,-0.2 -0.945 54.6-144.0-155.0 129.2 18.8 -28.4 16.4 69 128 A G E -H 80 0A 49 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.442 8.2-154.2 -90.0 167.3 16.8 -26.1 18.6 70 129 A V E -H 79 0A 7 9,-2.3 9,-2.8 -2,-0.1 2,-0.4 -0.983 5.8-168.8-146.0 131.2 17.2 -22.4 19.1 71 130 A Y E -H 78 0A 135 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.982 4.0-178.2-128.0 126.0 16.3 -20.2 22.1 72 131 A V E +H 77 0A 11 5,-3.3 5,-2.1 -2,-0.4 2,-0.2 -0.784 4.2 175.2-131.6 89.2 16.2 -16.4 22.1 73 132 A P 0 0 60 0, 0.0 -2,-0.0 0, 0.0 5,-0.0 -0.596 360.0 360.0 -86.3 154.4 15.3 -14.5 25.3 74 133 A Y 0 0 162 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.951 360.0 360.0-157.7 360.0 15.5 -10.7 25.4 75 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 76 137 A K 0 0 47 0, 0.0 31,-3.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 164.7 11.5 -14.5 23.9 77 138 A W E -HI 72 106A 19 -5,-2.1 -5,-3.3 29,-0.2 2,-0.3 -0.979 360.0-179.2-138.0 157.0 11.2 -16.6 20.9 78 139 A E E +HI 71 105A 73 27,-1.6 26,-2.0 -2,-0.3 27,-1.7 -0.995 13.1 137.1-155.1 141.0 12.2 -20.3 20.5 79 140 A G E -HI 70 103A 4 -9,-2.8 -9,-2.3 -2,-0.3 2,-0.4 -0.876 43.8 -81.5-165.0-164.3 12.1 -22.8 17.7 80 141 A E E -HI 69 102A 83 22,-2.0 22,-2.5 -2,-0.3 2,-0.2 -0.965 37.7-127.1-127.4 138.2 13.6 -25.6 15.7 81 142 A L E + I 0 101A 1 -13,-3.5 -15,-2.5 -2,-0.4 -13,-0.5 -0.593 42.1 130.6 -90.5 145.8 16.2 -25.2 12.9 82 143 A G E -HI 65 100A 1 18,-1.3 18,-3.0 -17,-0.3 2,-0.3 -0.943 43.5-110.0-166.7-177.6 15.9 -26.6 9.4 83 144 A T E +HI 64 99A 18 -19,-2.6 -19,-2.5 -2,-0.3 2,-0.3 -0.868 33.1 159.4-122.6 162.4 16.3 -25.6 5.8 84 145 A D E - 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